Basic information
- CAS
40283-84-9- Standard SMILES
CC1(C)C2CCC1(C)[C@@H](OCCCN=C(N)COS(=O)(O)=S)C2- InChIKey
TZWBNVVTNBUDMU-AVERBVTBSA-N- Molecular formula
- C15H28N2O4S2
- Average molar mass
- 364.5 g/mol
- Monoisotopic mass
- 364.14904973
Names & identifiers
- Preferred name
- Methanethiol, N-(3-(2-isobornyloxy)propyl)amidino-, hydrogen thiosulfate
- IUPAC
- 2-hydroxysulfonothioyloxy-N'-[3-[[(2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propyl]ethanimidamide
- English name
- Thiosulfuric acid hydrogen S-[2-imino-2-[[3-[(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]propyl]amino]ethyl] ester
- Molecular formula
- C15H28N2O4S2
- Molecular weight
- 364.52
Names & synonyms
40283-84-9Methanethiol, N-(3-(2-isobornyloxy)propyl)amidino-, hydrogen thiosulfateRefChem:1089094S-((N-(3-(2-Bornyloxy)propyl)amidino)methyl) hydrogen thiosulfateS-((N-(3-(2-Isobornyloxy)propyl)amidino)methyl) hydrogen thiosulfateDTXSID90960700Methanethiol, N-(3-(2-bornyloxy)propyl)amidino-, hydrogen sulfate (ester)40283-85-0O-[2-Imino-2-({3-[(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]propyl}amino)ethyl] hydrogen sulfurothioateO-{2-Imino-2-[(3-{[(2S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl]oxy}propyl)amino]ethyl} hydrogen sulfurothioateThiosulfuric acid hydrogen S-[2-imino-2-[[3-[(1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl)oxy]propyl]amino]ethyl] esterThiosulfuric acid (H2S2O3), S-[2-imino-2-[[3-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]propyl]amino]ethyl] ester, exo- (9CI)
Database identifiers
- CAS
40283-84-9、40283-85-0- PubChem CID
- 218166
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 572
Physicochemical properties
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- -4.68 · -4.68±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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